#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kru n GLY 2 N 0.00 -0.55 3.53 -5.12 0.00 -1.26 -5.03 105.19 96.76 2kru n GLY 2 Ca 0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 2kru n GLY 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kru s GLU 3 N -2.55 1.54 0.00 1.61 -1.05 -1.26 -5.12 118.70 111.86 2kru s GLU 3 Ca -0.24 -1.34 0.00 0.00 -0.15 0.00 0.00 54.97 53.24 2kru s GLU 3 Cb 0.07 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.21 2kru s GLU 3 CO 0.73 -0.63 0.00 1.28 0.95 0.00 0.00 175.26 177.60 2kru n LEU 4 N -0.38 0.00 -4.37 1.83 4.77 -1.26 -5.10 117.00 112.49 2kru n LEU 4 Ca -0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.64 2kru n LEU 4 Cb 0.62 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.57 2kru n LEU 4 CO 0.24 -0.24 -0.44 -0.44 -1.33 0.00 0.00 177.39 175.18 2kru s SER 5 N -1.00 4.07 -0.10 -1.43 0.01 -0.81 -5.04 113.70 109.40 2kru s SER 5 Ca 0.00 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.90 2kru s SER 5 Cb 0.00 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.56 2kru s SER 5 CO 0.00 0.15 0.02 0.26 0.41 0.00 0.00 173.24 174.08 2kru s TRP 6 N 0.47 3.21 0.71 2.43 0.52 -1.26 -0.10 118.94 124.92 2kru s TRP 6 Ca -0.09 0.19 -0.05 0.00 0.02 0.00 0.00 56.10 56.17 2kru s TRP 6 Cb -0.16 -1.85 0.09 0.00 -1.15 0.00 0.00 33.47 30.40 2kru s TRP 6 CO 0.04 0.44 1.00 0.95 0.02 0.00 0.00 176.95 179.40 2kru s THR 7 N -0.69 2.28 0.28 2.01 -4.23 -0.43 -4.85 115.64 110.01 2kru s THR 7 Ca 0.11 -0.37 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 2kru s THR 7 Cb -0.12 -2.91 0.27 0.00 1.34 0.00 0.00 72.50 71.09 2kru s THR 7 CO 0.02 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 176.02 2kru h ALA 8 N -0.59 1.40 -0.39 3.99 0.00 -1.99 0.35 119.26 122.03 2kru h ALA 8 Ca -0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kru h ALA 8 Cb 1.29 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2kru h ALA 8 CO 0.52 0.49 0.24 0.93 0.00 0.00 0.00 179.25 181.43 2kru h GLU 9 N 1.18 0.53 -0.57 0.00 3.07 -1.94 -1.58 114.58 115.27 2kru h GLU 9 Ca 0.39 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.12 2kru h GLU 9 Cb 0.06 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 2kru h GLU 9 CO -0.13 0.40 0.02 0.00 -1.40 0.00 0.00 179.01 177.90 2kru h ALA 10 N 1.10 0.96 -0.65 3.43 0.00 -1.56 -2.07 119.26 120.47 2kru h ALA 10 Ca 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2kru h ALA 10 Cb 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2kru h ALA 10 CO -0.03 0.63 0.33 0.93 0.00 0.00 0.00 179.25 181.11 2kru h GLU 11 N 0.89 0.92 -0.39 0.00 5.08 -0.64 0.47 114.58 120.92 2kru h GLU 11 Ca 0.17 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2kru h GLU 11 Cb 0.49 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kru h GLU 11 CO 0.02 0.72 -0.16 -0.22 -1.00 0.00 0.00 179.01 178.38 2kru h LYS 12 N 0.89 0.80 -0.21 2.33 3.64 -1.03 0.95 116.57 123.93 2kru h LYS 12 Ca 0.22 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 2kru h LYS 12 Cb 0.09 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2kru h LYS 12 CO -0.03 0.96 -0.22 0.52 -2.27 0.00 0.00 179.45 178.41 2kru h MET 13 N 0.61 0.39 0.00 1.90 2.86 -1.24 -2.09 114.93 117.36 2kru h MET 13 Ca 0.09 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2kru h MET 13 Cb 0.70 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 2kru h MET 13 CO 0.05 0.59 -0.44 1.25 1.06 0.00 0.00 176.91 179.42 2kru h LEU 14 N 0.35 0.00 -1.51 1.22 5.85 -0.60 -2.84 115.31 117.78 2kru h LEU 14 Ca 0.06 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2kru h LEU 14 Cb 0.59 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2kru h LEU 14 CO 0.04 0.44 -0.25 1.23 -0.34 0.00 0.00 178.44 179.56 2kru h GLY 15 N 2.33 0.00 1.53 3.75 0.00 -0.11 -1.67 103.07 108.91 2kru h GLY 15 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2kru h GLY 15 CO 0.06 0.00 0.03 1.70 0.00 0.00 0.00 176.54 178.33 2kru h LYS 16 N 0.00 0.58 -6.40 4.80 3.11 -1.30 -3.42 116.57 113.95 2kru h LYS 16 Ca -0.00 -0.12 -0.54 0.00 -2.81 0.00 0.00 60.65 57.17 2kru h LYS 16 Cb 0.50 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 2kru h LYS 16 CO 0.03 0.59 0.64 0.08 -2.81 0.00 0.00 179.45 177.97 2kru s VAL 17 N -5.03 4.11 0.58 2.00 1.01 -0.63 -4.99 120.40 117.45 2kru s VAL 17 Ca -0.08 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.20 2kru s VAL 17 Cb 0.15 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.52 2kru s VAL 17 CO 0.77 0.06 0.87 -0.81 0.00 0.00 0.00 175.10 175.99 2kru n PRO 18 N 4.56 0.86 -0.31 2.72 -0.04 -1.26 -4.62 135.00 136.90 2kru n PRO 18 Ca 0.10 0.33 0.01 0.00 -0.04 0.00 0.00 63.50 63.90 2kru n PRO 18 Cb 0.46 -2.05 0.15 0.00 -0.04 0.00 0.00 33.50 32.02 2kru n PRO 18 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2kru h PHE 19 N 0.54 0.98 -0.26 0.54 3.57 -1.93 0.24 116.94 120.62 2kru h PHE 19 Ca -0.47 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2kru h PHE 19 Cb 1.37 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 2kru h PHE 19 CO 0.37 0.48 0.15 0.74 -2.23 0.00 0.00 178.31 177.82 2kru h PHE 20 N 0.95 0.36 -0.01 0.41 0.04 -2.02 -2.74 116.94 113.93 2kru h PHE 20 Ca 0.38 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.15 2kru h PHE 20 Cb 0.21 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.24 2kru h PHE 20 CO -0.03 0.30 -0.31 1.33 -0.60 0.00 0.00 178.31 178.99 2kru n VAL 21 N -4.85 0.00 -0.15 -0.55 0.24 -0.97 -3.94 118.33 108.11 2kru n VAL 21 Ca -0.02 -0.18 -0.01 0.00 -2.04 0.00 0.00 64.34 62.09 2kru n VAL 21 Cb 0.07 0.69 0.24 0.00 -1.47 0.00 0.00 33.84 33.37 2kru n VAL 21 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2kru h ARG 22 N 1.72 0.87 -0.64 7.34 2.43 -0.21 0.41 114.38 126.29 2kru h ARG 22 Ca 0.00 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 2kru h ARG 22 Cb 0.59 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 2kru h ARG 22 CO 0.00 0.67 0.28 -0.22 -1.51 0.00 0.00 179.97 179.18 2kru h LYS 23 N 0.87 0.94 0.24 0.20 3.64 -1.68 0.39 116.57 121.16 2kru h LYS 23 Ca 0.22 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2kru h LYS 23 Cb 0.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2kru h LYS 23 CO -0.03 0.78 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.59 2kru h LYS 24 N 0.89 -0.31 -0.59 1.90 1.63 -1.51 -2.03 116.57 116.54 2kru h LYS 24 Ca 0.22 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.99 2kru h LYS 24 Cb 0.17 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.85 2kru h LYS 24 CO -0.02 -0.07 0.18 0.28 -3.45 0.00 0.00 179.45 176.37 2kru h VAL 25 N -0.52 1.24 -0.91 2.00 2.07 -0.90 0.07 116.25 119.31 2kru h VAL 25 Ca -0.03 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2kru h VAL 25 Cb 0.39 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 2kru h VAL 25 CO 0.05 0.32 0.60 -0.09 0.02 0.00 0.00 177.57 178.47 2kru h ARG 26 N 0.84 1.19 -0.03 1.57 2.43 -0.92 -0.48 114.38 118.99 2kru h ARG 26 Ca 0.19 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2kru h ARG 26 Cb 0.30 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2kru h ARG 26 CO -0.00 0.79 -0.55 -0.22 -1.51 0.00 0.00 179.97 178.48 2kru h LYS 27 N 1.23 0.07 -0.05 0.20 1.63 -0.97 -1.44 116.57 117.24 2kru h LYS 27 Ca 0.33 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 60.05 2kru h LYS 27 Cb -0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.50 2kru h LYS 27 CO -0.07 0.60 -0.13 -0.97 -3.45 0.00 0.00 179.45 175.43 2kru h ASN 28 N 0.06 0.20 0.22 4.20 -0.73 0.24 -1.69 115.58 118.08 2kru h ASN 28 Ca -0.00 -0.60 -0.10 0.00 1.87 0.00 0.00 56.30 57.47 2kru h ASN 28 Cb 0.99 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.51 2kru h ASN 28 CO 0.08 0.77 -0.38 0.74 -0.37 0.00 0.00 177.43 178.26 2kru h THR 29 N -0.36 1.29 -0.76 -3.57 2.02 -1.20 -0.81 112.91 109.53 2kru h THR 29 Ca -0.00 -1.43 0.07 0.00 0.77 0.00 0.00 66.41 65.82 2kru h THR 29 Cb 0.74 1.64 -0.06 0.00 -1.74 0.00 0.00 68.15 68.73 2kru h THR 29 CO 0.03 0.43 0.44 -0.78 0.37 0.00 0.00 175.52 176.00 2kru h ASP 30 N 0.19 0.66 1.28 4.18 1.82 -1.09 0.23 116.42 123.68 2kru h ASP 30 Ca 0.02 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 2kru h ASP 30 Cb 0.76 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 2kru h ASP 30 CO 0.06 0.41 -0.37 0.78 -1.61 0.00 0.00 179.24 178.51 2kru h ASN 31 N 0.79 0.00 -0.18 2.28 2.35 -0.88 -2.95 115.58 116.98 2kru h ASN 31 Ca 0.34 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.03 2kru h ASN 31 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 2kru h ASN 31 CO -0.20 0.37 -0.12 0.22 -1.65 0.00 0.00 177.43 176.05 2kru h TYR 32 N 0.00 0.47 -0.15 1.19 3.20 0.40 -2.57 116.97 119.51 2kru h TYR 32 Ca -0.00 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.69 2kru h TYR 32 Cb 1.11 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2kru h TYR 32 CO 0.00 0.73 -0.13 0.00 -1.64 0.00 0.00 178.16 177.12 2kru h ALA 33 N 0.67 1.51 -0.35 1.82 0.00 -0.64 -1.24 119.26 121.03 2kru h ALA 33 Ca 0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2kru h ALA 33 Cb 0.62 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2kru h ALA 33 CO 0.03 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.51 2kru h ARG 34 N 0.23 0.61 -0.61 0.00 3.08 -1.43 0.41 114.38 116.66 2kru h ARG 34 Ca 0.05 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 2kru h ARG 34 Cb 0.37 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2kru h ARG 34 CO 0.02 0.71 0.07 1.49 -1.07 0.00 0.00 179.97 181.20 2kru h GLU 35 N 0.55 1.03 -0.06 0.04 4.81 -0.82 -2.42 114.58 117.73 2kru h GLU 35 Ca 0.10 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2kru h GLU 35 Cb 0.54 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2kru h GLU 35 CO 0.03 0.98 0.00 0.44 -0.73 0.00 0.00 179.01 179.73 2kru n ILE 36 N -4.26 0.06 -2.86 2.32 -5.35 -0.96 -4.94 119.36 103.37 2kru n ILE 36 Ca 0.03 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.16 2kru n ILE 36 Cb 0.30 0.34 0.06 0.00 -1.74 0.00 0.00 39.64 38.59 2kru n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kru n GLY 37 N 1.13 -0.19 2.72 3.28 0.00 -0.55 -5.04 105.19 106.54 2kru n GLY 37 Ca 0.18 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 2kru n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kru s GLU 38 N -4.62 0.60 0.41 1.61 2.56 0.13 -5.00 118.70 114.39 2kru s GLU 38 Ca 0.09 -0.42 0.28 0.00 0.00 0.00 0.00 54.97 54.91 2kru s GLU 38 Cb -0.01 -2.07 0.95 0.00 2.00 0.00 0.00 34.13 35.00 2kru s GLU 38 CO 0.48 -0.66 1.80 -1.35 -0.56 0.00 0.00 175.26 174.97 2kru h PRO 39 N 8.25 0.00 -4.56 4.30 0.11 -1.95 -3.38 132.00 134.78 2kru h PRO 39 Ca -0.16 0.00 -0.70 0.00 0.11 0.00 0.00 66.00 65.25 2kru h PRO 39 Cb 1.12 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 31.93 2kru h PRO 39 CO 0.34 0.00 -0.54 0.08 -0.21 0.00 0.00 178.00 177.67 2kru s VAL 40 N -3.39 3.85 -0.64 3.15 1.01 -1.26 -1.92 120.40 121.20 2kru s VAL 40 Ca 0.05 -1.40 -0.26 0.00 0.00 0.00 0.00 61.98 60.37 2kru s VAL 40 Cb 0.09 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 33.18 2kru s VAL 40 CO 0.55 -0.39 1.12 -0.69 0.00 0.00 0.00 175.10 175.69 2kru s VAL 41 N 1.36 4.07 0.59 2.92 1.01 0.85 -4.95 120.40 126.26 2kru s VAL 41 Ca 0.02 0.37 0.09 0.00 0.00 0.00 0.00 61.98 62.46 2kru s VAL 41 Cb -0.21 -4.73 0.09 0.00 0.00 0.00 0.00 36.38 31.52 2kru s VAL 41 CO 0.01 -1.47 0.72 0.42 0.00 0.00 0.00 175.10 174.79 2kru s THR 42 N 4.79 1.90 0.28 3.92 -4.23 -1.26 -1.31 115.64 119.74 2kru s THR 42 Ca 0.34 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.74 2kru s THR 42 Cb -0.11 -2.02 0.27 0.00 1.34 0.00 0.00 72.50 71.98 2kru s THR 42 CO 0.18 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 176.06 2kru h ALA 43 N 0.25 1.46 -0.36 3.99 0.00 -1.93 -1.68 119.26 120.99 2kru h ALA 43 Ca -0.30 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2kru h ALA 43 Cb 1.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kru h ALA 43 CO 0.44 0.05 0.22 -0.44 0.00 0.00 0.00 179.25 179.53 2kru h ASP 44 N 0.81 0.37 -0.40 0.00 5.19 -1.98 0.21 116.42 120.62 2kru h ASP 44 Ca 0.50 -0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.91 2kru h ASP 44 Cb 0.63 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 2kru h ASP 44 CO -0.32 0.27 0.24 0.58 -3.12 0.00 0.00 179.24 176.89 2kru h VAL 45 N 0.45 1.13 -0.08 -1.35 2.07 -1.76 -1.86 116.25 114.85 2kru h VAL 45 Ca 0.14 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 2kru h VAL 45 Cb -0.02 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 2kru h VAL 45 CO -0.05 0.13 -0.43 0.15 0.02 0.00 0.00 177.57 177.39 2kru h PHE 46 N 0.53 0.22 -0.32 1.57 3.57 -1.03 -0.78 116.94 120.70 2kru h PHE 46 Ca 0.14 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2kru h PHE 46 Cb 0.00 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2kru h PHE 46 CO -0.04 0.59 0.16 -0.09 -2.23 0.00 0.00 178.31 176.70 2kru h ARG 47 N 0.16 0.46 -0.03 1.11 2.43 -0.14 -2.96 114.38 115.40 2kru h ARG 47 Ca 0.01 -0.07 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 2kru h ARG 47 Cb 0.82 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2kru h ARG 47 CO 0.06 0.42 -0.61 0.87 -1.51 0.00 0.00 179.97 179.20 2kru h LYS 48 N 0.39 0.12 -0.90 0.20 1.57 -1.12 -3.31 116.57 113.53 2kru h LYS 48 Ca 0.11 -0.09 0.19 0.00 -1.87 0.00 0.00 60.65 59.00 2kru h LYS 48 Cb 0.11 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.32 2kru h LYS 48 CO -0.02 0.70 0.46 0.00 -0.57 0.00 0.00 179.45 180.02 2kru h ALA 49 N 1.28 1.44 -0.09 3.86 0.00 -0.96 -1.48 119.26 123.31 2kru h ALA 49 Ca -0.01 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2kru h ALA 49 Cb 1.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kru h ALA 49 CO 0.09 -0.19 0.07 0.87 0.00 0.00 0.00 179.25 180.08 2kru h LYS 50 N 0.56 0.00 0.02 0.00 6.56 -1.65 0.45 116.57 122.50 2kru h LYS 50 Ca 0.53 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 60.04 2kru h LYS 50 Cb 0.89 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.56 2kru h LYS 50 CO -0.44 0.00 -0.34 0.93 -2.06 0.00 0.00 179.45 177.54 2kru h GLU 51 N 0.00 0.20 0.05 3.15 5.08 -1.51 -2.83 114.58 118.71 2kru h GLU 51 Ca 0.04 -0.24 -0.24 0.00 -1.00 0.00 0.00 59.36 57.93 2kru h GLU 51 Cb 0.18 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2kru h GLU 51 CO -0.00 1.00 -1.15 1.25 -1.00 0.00 0.00 179.01 179.10 2kru h HIS 52 N -0.50 0.18 0.00 4.33 2.76 -1.37 -3.42 115.15 117.13 2kru h HIS 52 Ca -0.05 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2kru h HIS 52 Cb 1.13 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.09 2kru h HIS 52 CO 0.19 1.11 0.00 1.28 -1.30 0.00 0.00 177.93 179.21 2kru n LEU 53 N -3.39 0.27 -3.55 0.26 4.77 0.15 -5.10 117.00 110.41 2kru n LEU 53 Ca -0.05 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.94 2kru n LEU 53 Cb 0.98 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.99 2kru n LEU 53 CO 0.49 -0.02 0.82 -0.83 -1.33 0.00 0.00 177.39 176.52 2kru s GLY 54 N -1.09 0.24 -1.00 -0.72 0.00 -1.19 -5.03 107.32 98.54 2kru s GLY 54 Ca 0.00 3.45 -0.12 0.00 0.00 0.00 0.00 44.72 48.05 2kru s GLY 54 CO 0.00 2.85 1.01 -0.32 0.00 0.00 0.00 173.10 176.64 2kru s GLY 55 N 1.48 2.84 -0.02 0.20 0.00 -1.08 -4.65 107.32 106.10 2kru s GLY 55 Ca -0.07 -3.52 -0.11 0.00 0.00 0.00 0.00 44.72 41.02 2kru s GLY 55 CO -0.14 1.42 0.32 1.08 0.00 0.00 0.00 173.10 175.78 2kru s LEU 56 N -0.16 4.42 -0.87 0.66 1.02 -1.26 -4.52 118.68 117.97 2kru s LEU 56 Ca 0.27 0.76 -0.03 0.00 0.02 0.00 0.00 54.13 55.15 2kru s LEU 56 Cb -0.09 -2.51 -0.02 0.00 0.02 0.00 0.00 46.19 43.58 2kru s LEU 56 CO -0.08 0.32 0.77 1.21 0.02 0.00 0.00 176.35 178.59 2kru n GLU 57 N 1.66 -1.63 -3.31 1.70 2.13 -1.26 -4.93 120.64 115.00 2kru n GLU 57 Ca -0.14 1.19 -0.45 0.00 0.66 0.00 0.00 57.16 58.41 2kru n GLU 57 Cb 0.53 -5.50 -0.00 0.00 0.27 0.00 0.00 31.44 26.74 2kru n GLU 57 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2kru s HIS 58 N -3.16 4.16 -0.00 4.31 2.46 -1.26 -4.97 115.29 116.83 2kru s HIS 58 Ca 0.18 -2.57 0.01 0.00 0.47 0.00 0.00 55.06 53.15 2kru s HIS 58 Cb -0.03 -3.87 -0.00 0.00 -0.13 0.00 0.00 32.58 28.55 2kru s HIS 58 CO 0.76 -0.99 -0.03 -3.38 -2.47 0.00 0.00 174.74 168.63 2kru s HIS 59 N -0.89 0.28 -0.07 3.88 -3.43 -1.26 -5.13 115.29 108.67 2kru s HIS 59 Ca 0.30 -0.05 -0.25 0.00 -0.80 0.00 0.00 55.06 54.26 2kru s HIS 59 Cb -0.09 -0.19 -0.03 0.00 -1.43 0.00 0.00 32.58 30.84 2kru s HIS 59 CO -0.08 -0.01 0.79 -1.01 -2.00 0.00 0.00 174.74 172.44 2kru s HIS 60 N -0.04 3.57 -1.38 0.38 3.76 -1.26 -4.95 115.29 115.37 2kru s HIS 60 Ca 0.01 1.36 -0.08 0.00 -0.15 0.00 0.00 55.06 56.20 2kru s HIS 60 Cb -0.02 -2.92 0.09 0.00 1.11 0.00 0.00 32.58 30.85 2kru s HIS 60 CO -0.00 0.01 2.33 1.58 -0.85 0.00 0.00 174.74 177.81 2kru n HIS 61 N 4.04 2.74 -3.32 1.40 -0.00 -1.26 -4.80 115.22 114.02 2kru n HIS 61 Ca 0.01 -2.87 -0.08 0.00 0.46 0.00 0.00 57.72 55.24 2kru n HIS 61 Cb 0.51 -2.05 -0.07 0.00 -0.12 0.00 0.00 29.99 28.26 2kru n HIS 61 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kru s HIS 62 N 0.26 -0.96 -2.51 1.57 5.04 -1.26 -5.36 115.29 112.07 2kru s HIS 62 Ca 0.52 0.72 0.20 0.00 -1.54 0.00 0.00 55.06 54.96 2kru s HIS 62 Cb 0.15 -0.00 0.16 0.00 0.04 0.00 0.00 32.58 32.93 2kru s HIS 62 CO -0.06 -0.83 1.13 1.58 -2.34 0.00 0.00 174.74 174.23